2-methyl-3-[methyl-[2-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]amino]propanoic acid

C13H21N3O3S — CID 122009883

IUPAC2-methyl-3-[methyl-[2-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]amino]propanoic acid
SMILESCc1cnc(C(C)CNC(=O)N(C)CC(C)C(=O)O)s1
InChIInChI=1S/C13H21N3O3S/c1-8(11-14-6-10(3)20-11)5-15-13(19)16(4)7-9(2)12(17)18/h6,8-9H,5,7H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyLYAMZIYBIBTXJJ-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.92
Rot. Bonds6

About 2-methyl-3-[methyl-[2-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]amino]propanoic acid

2-methyl-3-[methyl-[2-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]amino]propanoic acid (PubChem CID 122009883) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[2-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[2-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]amino]propanoic acid
PubChem CID122009883
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-methyl-3-[methyl-[2-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]amino]propanoic acid
SMILESCc1cnc(C(C)CNC(=O)N(C)CC(C)C(=O)O)s1
InChIInChI=1S/C13H21N3O3S/c1-8(11-14-6-10(3)20-11)5-15-13(19)16(4)7-9(2)12(17)18/h6,8-9H,5,7H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyLYAMZIYBIBTXJJ-UHFFFAOYSA-N
XLogP1.92
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]propanoic acid
CID 55007172
N-methyl-N-[2-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-2-oxoethyl]prop-2-enamide
CID 166406690
2-methyl-3-[methyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 103790895
2-methyl-3-[methyl(2-methylbutylcarbamoyl)amino]propanoic acid
CID 62692283
2-methyl-3-[methyl-[(5-methyl-2-pyridinyl)carbamoyl]amino]propanoic acid
CID 122089410
2-methyl-3-[methyl-[2-(4-methylphenoxy)propylcarbamoyl]amino]propanoic acid
CID 122004108
1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-[(2S)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 97305979
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505091
2-methyl-3-[methyl(2-phenoxypropylcarbamoyl)amino]propanoic acid
CID 122002162
2-[[butylamino-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110034810
2-methyl-3-[methyl(pyrimidin-2-ylcarbamoyl)amino]propanoic acid
CID 55007752
2-methyl-3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 62669220

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[2-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[2-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]amino]propanoic acid (CID 122009883) is 2-methyl-3-[methyl-[2-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[2-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[2-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]amino]propanoic acid is Cc1cnc(C(C)CNC(=O)N(C)CC(C)C(=O)O)s1.
What is the InChIKey of 2-methyl-3-[methyl-[2-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]amino]propanoic acid?
The InChIKey is LYAMZIYBIBTXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-8(11-14-6-10(3)20-11)5-15-13(19)16(4)7-9(2)12(17)18/h6,8-9H,5,7H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-methyl-3-[methyl-[2-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]amino]propanoic acid?
2-methyl-3-[methyl-[2-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]amino]propanoic acid has a molecular weight of 299.40 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[2-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 122009883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).